2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-methyl-5-(2-methylanilino)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-methyl-5-(2-methylanilino)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-methyl-5-(2-methylanilino)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P572-4767 |
| Compound Name: | 2-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-7-methyl-5-(2-methylanilino)[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C24 H24 N6 O2 |
| Smiles: | CC1=CC2=NN(CC(N3CCCc4ccccc34)=O)C(N2C(Nc2ccccc2C)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2834 |
| logD: | 3.2832 |
| logSw: | -3.386 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.004 |
| InChI Key: | CEDJLQYUCFDRRN-UHFFFAOYSA-N |